N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine

C16H22N4 — CID 102661692

IUPACN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2Cc1cnn(C)c1
InChIInChI=1S/C16H22N4/c1-12(17-2)14-4-5-16-15(8-14)6-7-20(16)11-13-9-18-19(3)10-13/h4-5,8-10,12,17H,6-7,11H2,1-3H3
InChIKeyJZVIUIMDIXKPOY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine

N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661692) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661692
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2Cc1cnn(C)c1
InChIInChI=1S/C16H22N4/c1-12(17-2)14-4-5-16-15(8-14)6-7-20(16)11-13-9-18-19(3)10-13/h4-5,8-10,12,17H,6-7,11H2,1-3H3
InChIKeyJZVIUIMDIXKPOY-UHFFFAOYSA-N
XLogP2.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine (CID 102661692) is N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine is CNC(C)c1ccc2c(c1)CCN2Cc1cnn(C)c1.
What is the InChIKey of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is JZVIUIMDIXKPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(17-2)14-4-5-16-15(8-14)6-7-20(16)11-13-9-18-19(3)10-13/h4-5,8-10,12,17H,6-7,11H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).